3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-bromo-4-sec-butoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-4-sec-butoxy-benzylidene)thiazolidine-2,4-quinone Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-3-15(2)29-18-9-8-16(12-17(18)23)13-19-21(27)25(22(28)30-19)14-20(26)24-10-6-4-5-7-11-24/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3